UCSF

ZINC71790465

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 18 Yes

Other Names:

MFCD19499469

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 3.88 -53.93 4 4 1 73 262.358 2
Hi High (pH 8-9.5) 2.55 1.89 -58.24 3 4 0 76 261.35 2
Mid Mid (pH 6-8) 2.09 3.64 -7.83 3 4 0 72 261.35 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.